⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24379284 | 0.84 | GBA1 (0.61) | — | |
| SCHEMBL1929243 | 0.82 | JAK2 (0.41) | — | |
| SCHEMBL19799065 | 0.80 | KDM2B (0.39) | — | |
| SCHEMBL19799053 | 0.80 | KDM2B (0.39) | — | |
| SCHEMBL21120668 | 0.80 | KDM2B (0.39) | — | |
| SCHEMBL19799056 | 0.80 | KDM2B (0.39) | — | |
| SCHEMBL19808729 | 0.80 | SCN1A (0.37) | — | |
| SCHEMBL19799052 | 0.80 | KDM2B (0.39) | — | |
| SCHEMBL21120886 | 0.79 | ALDH1A1 (0.49) | — | |
| SCHEMBL21120577 | 0.79 | KDM2B (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021129820-A1 | SPIRO RING-CONTAINING QUINAZOLINE COMPOUND | 微境生物医药科技(上海)有限公司 | 2021-07-01 | — | — | WO | disclosed |
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| EP-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |
| CN-102153544-A | Preparation method and application of novel tyrosine kinase inhibitors | SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD | 2011-08-17 | — | — | CN | disclosed |